N. Selvakumaran

3-Benzoyl-1-(2-meth-oxy-phen-yl)thio-urea.

In the title compound, C15H14N2O2S, the central C2N2OS moiety is planar (r.m.s. deviation of fitted atoms = 0.0336 Å). This is ascribed to the formation of an S(6) loop stabilized by an intramolecular N—H⋯O hydrogen bond; additional intramolecular N—H⋯O and C—H⋯S contacts are also noted. The dihedral angles between the central unit and the phenyl and benzene rings are 23.79 (7) and 29.52 (5)°, respectively. The thione S and ketone O atoms are mutually anti, as are the N—H H atoms; the O atoms lie to the same side of the molecule. Centrosymmetric eight-membered {⋯HNC=S}2 synthons feature in the crystal packing. The resulting inversion dimers stack along the a axis and are connected into a three-dimensional structure by C—H⋯O and C—H⋯π interactions.

3-({[Bis(2-methyl­prop­yl)carbamo­thio­yl]amino}­carbon­yl)benzamide

In the title compound, C17H25N3O2S, the terminal and central amide groups are, respectively, twisted and coplanar with the attached benzene ring [O—C—C—C torsion angles = 22.7 (3) and 5.4 (3)°]. In the central part of the molecule, the amide and thioamide residues are approximately perpendicular [C—N—C—S torsion angle = −104.98 (18)°]. Supramolecular layers with a zigzag topology are formed in the crystal packing by N—H⋯O, N—H⋯S and C—H⋯O interactions; these stack along c, being separated by hydrophobic interactions.

3-{[(Di­benzyl­carbamo­thio­yl)amino]­carbon­yl}benzamide

Two independent molecules with quite similar conformations, A and B, comprise the asymmetric unit of the title compound, C23H21N3O2S. The terminal amide substituent is coplanar with the attached benzene ring [the O—C—C—C torsion angles are 174.0 (2) (A) and 6.3 (3)° (B)]. In the same way, the central amide group [C—C—C—O = 7.8 (3) (A) and 11.5 (3)° (B)] is approximately coplanar with the ring to which it is attached. A major twist is noted between the amide and adjacent thioamide residues [C—N—C—S = −109.29 (19) (A) and −112.29 (19)° (B)]. In the crystal, supramolecular chains along [100] are formed by N—H⋯O and N—H⋯S hydrogen bonding. These are connected into a three-dimensional architecture by C—H⋯π and π–π interactions [inter-centroid distance = 3.9157 (12) Å].

1-[3-({[Bis(2-methyl­prop­yl)carbamo­thio­yl]amino}­carbon­yl)benzoyl]-3,3-bis­(2-methyl­prop­yl)thio­urea

The title compound, C26H42N4O2S2, adopts a shallow U-shape as both pendant arms of the 1,3-substituted benzene ring are orientated in the same direction. The thione S atoms lie to the same side of the benzene ring and the carbonyl O atoms to the other. The most prominent feature of the crystal packing is the formation of inversion dimers mediated by N—H⋯S hydrogen bonds. One of the 2-methylpropyl groups is statistically disordered over two positions.

Dibenzyl­aza­nium chloride

In the title salt, C14H16N+·Cl−, the complete cation and complete anion are generated by the application of mirror symmetry. The molecule is nonplanar, as seen in the dihedral angle between the terminal phenyl rings [70.92 (5)°]. In the crystal, N—H⋯Cl hydrogen bonds involving both azanium H atoms link the ions into a zigzag supramolecular chain along [100].

1-Benzoyl-3-(4-chloro­phen­yl)thio­urea dichloro­methane hemisolvate

In the title hemisolvate, C14H11ClN2OS·0.5CH2Cl2, an anti disposition is found for the thione and ketone atoms, as well as the N—H H atoms; the dichloromethane C atom lies on a twofold axis. The central chromophore (including the two adjacent ipso C atoms) is planar (r.m.s. deviation = 0.021 Å) owing to the presence of an intramolecular N—H⋯O hydrogen bond, which closes an S(6) loop. Significant twists are evident in the molecule, the dihedral angles between the central moiety and the phenyl and benzene rings being 29.52 (7) and 40.02 (7)°, respectively. In the crystal, eight-membered {⋯HNC= S}2 synthons with twofold symmetry form via N—H⋯S hydrogen bonds. The dimers are connected into a supramolecular chain along [111] by C—H⋯O interactions. The chains stack along the c axis, forming columns which define channels in which the occluded dichloromethane molecules reside.

Dicyclo-hexyl-ammonium thio-cyanate: monoclinic polymorph.

The title salt, C12H24N+·NCS−, represents a monoclinic polymorph of the previously reported orthorhombic form [Khawar Rauf et al. (2008 ▶). Acta Cryst. E64, o366]. Two independent formula units comprise the asymmetric unit with the major difference in their molecular structures relating to the relative dispositions of the cyclohexyl rings [dihedral angles = 79.88 (6) and 67.72 (5)°]. Further, the independent anions form distinctive patterns of hydrogen-bonding interactions, i.e. 2 × N—H⋯N versus N—H⋯N and N—H⋯S. The resulting supramolecular architecture is a supramolecular chain along the c axis based on a square-wave topology.

1-Benzoyl-3,3-bis-(2-methyl-prop-yl)thio-urea.

The title compound, C16H24N2OS, is twisted about the central N(H)—C bond with the C—N—C—S torsion angle being 119.6 (3)°. The carbonyl O and thione S atoms are directed to opposite sides of the molecule, a conformation that allows for the formation of a linear supramolecular chain comprising alternating eight-membered {⋯HNCS}2 and 14-membered {⋯HCNCNCO}2 synthons.

Bis(3-benzoyl-1,1-di-sec-butyl-thio-ureato-κO,S)palladium(II).

The complex molecule of the title complex, [Pd(C16H23N2OS)2], is completed by crystallographic twofold symmetry with the metal atom lying on the rotation axis. The PdII atom exists within a slightly distorted square-planar geometry defined by a cis-O2S2 donor set. The dihedral angle formed between the mean planes of the symmetry-related six-membered chelate rings is 12.88 (7)° and the bond lengths within the rings are indicative of significant electron delocalization. In the crystal, molecules aggregate into dimers linked by four C—H⋯O interactions.